SCHEMBL7943065

SCHEMBL7943065

Cc1cc(C(=O)OCCO)cc(C(C)(C)C)c1O

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 8/20 0.54
CYP1A2 P05177 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
SERPINE1 P05121 4/20 0.44
LMNA P02545 1/20 0.41
RECQL P46063 1/20 0.41
AKR1C4 P17516 1/20 0.39
AKR1C3 P42330 1/20 0.39
AKR1C2 P52895 1/20 0.39
AKR1C1 Q04828 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
CA14 Q9ULX7 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL29030253 0.92 SERPINE1 (0.50) ESR1CYP1A2CYP2C9CYP2C19SERPINE1
SCHEMBL7943202 0.92 ESR1 (0.58) ESR1CYP1A2CYP2C9CYP2C19SERPINE1
SCHEMBL7943043 0.91 LMNA (0.49) ESR1SERPINE1LMNARECQLAKR1C4
SCHEMBL7944813 0.90 ESR1 (0.58) ESR1CYP1A2CYP2C9CYP2C19SERPINE1
SCHEMBL7942620 0.87 ESR1 (0.54) ESR1SERPINE1AKR1C4AKR1C3AKR1C2
SCHEMBL7944749 0.86 ESR1 (0.52) ESR1SERPINE1AKR1C4AKR1C3AKR1C2
SCHEMBL7942431 0.84 HSPA5 (0.45) ESR1SERPINE1LMNARECQLAKR1C4
SCHEMBL11405558 0.83 ESR1 (0.77) ESR1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL7942462 0.83 ESR1 (0.41) ESR1CYP2C9CYP2C19LMNA
SCHEMBL7942418 0.83 LMNA (0.46) ESR1SERPINE1LMNARECQLAKR1C4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6242514-B1 CYCLIC PHOSPHATE OR PHOSPHONATE; HEAT AND OXIDATION STABILIZER ESPECIALLY FOR OLEFIN POLYMERS AND ENGINEERING THERMOPLASTICS SUMITOMO CHEMICAL COMPANY, LTD. (JP) 2001-06-05 US disclosed
US-5914361-A IMPART HEAT STABILITY TO ORGANIC MATERIALS, INCLUDING POLYOLEFINS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1999-06-22 US disclosed
EP-0861847-A2 Stabilizer composition and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1998-09-02 EP disclosed